CID 58096483

1259312-25-8

Structural Information

Molecular Formula
C24H29Cl2N3O3
SMILES
C1CC(=O)N(C2=C1C=CC(=C2)OCCCCN3CCN(CC3)C4=C(C(=CC=C4)Cl)Cl)CO
InChI
InChI=1S/C24H29Cl2N3O3/c25-20-4-3-5-21(24(20)26)28-13-11-27(12-14-28)10-1-2-15-32-19-8-6-18-7-9-23(31)29(17-30)22(18)16-19/h3-6,8,16,30H,1-2,7,9-15,17H2
InChIKey
RDYWTOWUSVAZGN-UHFFFAOYSA-N
Compound name
7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-1-(hydroxymethyl)-3,4-dihydroquinolin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

211
Patents

477.1586 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.165876 213.8
[M+Na]+ 500.147818 219.1
[M-H]- 476.151324 216.3
[M+NH4]+ 495.192423 218.7
[M+K]+ 516.121758 210.9
[M+H-H2O]+ 460.155860 201.6
[M+HCOO]- 522.156801 213.8
[M+CH3COO]- 536.172451 218.7
[M+Na-2H]- 498.133266 211.1
[M]+ 477.15805142 214.1
[M]- 477.15914858 214.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe